SME - A/Z - Sc-Exo - C4-Endo - No Solvent

Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.该计算内容为2013年伦敦帝国理工学院（Imperial College London）题为《有机催化的机理洞察》（Mechanistic Insights into Organocatalysis）的博士学位论文的研究组成部分。